Chemical Properties of Propanamide, N-(4-bromophenyl)-2-chloro-

InChI

InChI=1S/C9H9BrClNO/c1-6(11)9(13)12-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,12,13)

InChI Key

XUBDXLHGPBQDQM-UHFFFAOYSA-N

Formula

C9H9BrClNO

SMILES

CC(Cl)C(=O)Nc1ccc(Br)cc1

Molecular Weight¹

262.53

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[185.89; 405.87]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.50000e-01
Coefficient B			8.19520e-01
Coefficient C			-5.54860e-04
Coefficient D			1.40560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	185.89	J/mol×K	273.00	Calculated Property
Cp,gas	227.36	J/mol×K	353.78	Calculated Property
Cp,gas	263.53	J/mol×K	434.56	Calculated Property
Cp,gas	294.86	J/mol×K	515.33	Calculated Property
Cp,gas	321.78	J/mol×K	596.11	Calculated Property
Cp,gas	344.74	J/mol×K	676.89	Calculated Property
Cp,gas	364.19	J/mol×K	757.67	Calculated Property
Cp,gas	380.56	J/mol×K	838.44	Calculated Property
Cp,gas	394.31	J/mol×K	919.22	Calculated Property
Cp,gas	405.87	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Propanamide, N-(4-bromophenyl)-2-chloro-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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